2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol

C16H27NO — CID 64926933

IUPAC2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)C1CC2C=CC1C2
InChIInChI=1S/C16H27NO/c1-11(15-9-12-6-7-13(15)8-12)17-10-14-4-2-3-5-16(14)18/h6-7,11-18H,2-5,8-10H2,1H3
InChIKeyQROGQOJCGRRJQS-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.73
Rot. Bonds4

About 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 64926933) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID64926933
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)C1CC2C=CC1C2
InChIInChI=1S/C16H27NO/c1-11(15-9-12-6-7-13(15)8-12)17-10-14-4-2-3-5-16(14)18/h6-7,11-18H,2-5,8-10H2,1H3
InChIKeyQROGQOJCGRRJQS-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol (CID 64926933) is 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)C1CC2C=CC1C2.
What is the InChIKey of 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is QROGQOJCGRRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(15-9-12-6-7-13(15)8-12)17-10-14-4-2-3-5-16(14)18/h6-7,11-18H,2-5,8-10H2,1H3.
What are the key properties of 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64926933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).